Glycoside
GD030732
Name:
NoneFormula:
C21H23O7N5Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCC(Cc2cccc(C(=O)O)c2)C(=O)O)[C@H](O)[C@H]1OAglycone:
CCC(Cc1cccc(C(=O)O)c1)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.44 | Num_heavy_atoms: | 33 |
| TPSA: | 193.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19877
Formula: C12H14O4
Smiles:
CCC(Cc1cccc(C(=O)O)c1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 222.24 | Num_heavy_atoms: | 16 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
